4,6,7-trifluoro-2-propan-2-yl-1H-indole

C11H10F3N — CID 163372867

IUPAC4,6,7-trifluoro-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2c(F)cc(F)c(F)c2[nH]1
InChIInChI=1S/C11H10F3N/c1-5(2)9-3-6-7(12)4-8(13)10(14)11(6)15-9/h3-5,15H,1-2H3
InChIKeyWXPFMUGYEUBPBM-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.71
Rot. Bonds1

About 4,6,7-trifluoro-2-propan-2-yl-1H-indole

4,6,7-trifluoro-2-propan-2-yl-1H-indole (PubChem CID 163372867) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 4,6,7-trifluoro-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name4,6,7-trifluoro-2-propan-2-yl-1H-indole
PubChem CID163372867
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name4,6,7-trifluoro-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2c(F)cc(F)c(F)c2[nH]1
InChIInChI=1S/C11H10F3N/c1-5(2)9-3-6-7(12)4-8(13)10(14)11(6)15-9/h3-5,15H,1-2H3
InChIKeyWXPFMUGYEUBPBM-UHFFFAOYSA-N
XLogP3.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trifluoro-2-propan-2-yl-1H-indole?
The IUPAC name of 4,6,7-trifluoro-2-propan-2-yl-1H-indole (CID 163372867) is 4,6,7-trifluoro-2-propan-2-yl-1H-indole.
What is the SMILES notation for 4,6,7-trifluoro-2-propan-2-yl-1H-indole?
The canonical SMILES for 4,6,7-trifluoro-2-propan-2-yl-1H-indole is CC(C)c1cc2c(F)cc(F)c(F)c2[nH]1.
What is the InChIKey of 4,6,7-trifluoro-2-propan-2-yl-1H-indole?
The InChIKey is WXPFMUGYEUBPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c1-5(2)9-3-6-7(12)4-8(13)10(14)11(6)15-9/h3-5,15H,1-2H3.
What are the key properties of 4,6,7-trifluoro-2-propan-2-yl-1H-indole?
4,6,7-trifluoro-2-propan-2-yl-1H-indole has a molecular weight of 213.20 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trifluoro-2-propan-2-yl-1H-indole is sourced from PubChem (CID 163372867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).